[(9S,10R,11S)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] propanoate
| Internal ID | 6ef077c7-fbff-4ae7-bc36-17dd5e79ee52 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(9S,10R,11S)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H30O8/c1-7-18(26)33-22-13(3)12(2)8-14-9-16(28-4)23(29-5)21(27)19(14)20-15(22)10-17-24(25(20)30-6)32-11-31-17/h9-10,12-13,22,27H,7-8,11H2,1-6H3/t12-,13+,22-/m0/s1 |
| InChI Key | DFSWEHCESAAJRE-SASJJMKUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H30O8 |
| Molecular Weight | 458.50 g/mol |
| Exact Mass | 458.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [(9S,10R,11S)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/f6d9ed50-86e6-11ee-acae-577cb21debbc.jpg "2D Structure of [(9S,10R,11S)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] propanoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.18% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.04% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.19% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.94% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.31% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.93% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.86% | 96.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.99% | 89.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.62% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.46% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.68% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.63% | 94.80% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.50% | 82.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.79% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.97% | 97.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.45% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Kadsura longepedunculata |
| PubChem | 163092412 |
| LOTUS | LTS0113644 |
| wikiData | Q104978291 |